SCHEMBL2778490

SCHEMBL2778490

CC(N)(CO)c1ccc2cc(Oc3cccc(C(F)(F)F)c3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
MAPT P10636 2/20 0.43
LTA4H P09960 1/20 0.43
F10 P00742 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK14 Q16539 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 1/20 0.41
AOC3 Q16853 1/20 0.41
EPAS1 Q99814 1/20 0.41
MAP2K1 Q02750 1/20 0.41
CHEK2 O96017 1/20 0.40
ADORA2A P29274 1/20 0.40
PPARG P37231 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2451540 1.00 KIF11 (0.46) KIF11MAPTLTA4HF10L3MBTL1
SCHEMBL2487238 0.89 KIF11 (0.46) KIF11MAPTLTA4HF10L3MBTL1
SCHEMBL2448045 0.89 KIF11 (0.50) KIF11MAPTLTA4HF10L3MBTL1
SCHEMBL2451413 0.89 PDE4A (0.41) MAPTLTA4HL3MBTL1LMNAALDH1A1
SCHEMBL2776241 0.89 PDE4A (0.41) MAPTLTA4HL3MBTL1LMNAALDH1A1
SCHEMBL2450365 0.85 SCN9A (0.43) KIF11F10MAPK14PPARGPOLB
SCHEMBL2450368 0.85 SCN9A (0.43) KIF11F10MAPK14PPARGPOLB
SCHEMBL2454096 0.82 MAOB (0.41) MAPTF10MAOBCHEK2LMNA
SCHEMBL2778537 0.82 CYP2C9 (0.39) MAPTKDM4ENPSR1MAOBLMNA
SCHEMBL2777104 0.82 MAOB (0.41) MAPTF10MAOBCHEK2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2013-03-07 US claimed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US claimed
EP-2364088-B1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC INC (US) 2014-04-16 EP disclosed
US-8546359-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2013-10-01 US disclosed
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2013-03-07 US disclosed
US-8269043-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2012-09-18 US disclosed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 KIF11 3095/4885MAPT 3464/4885LTA4H 1907/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 KIF11 4174/4885MAPT 4541/4885LTA4H 2895/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.